Vitas-M small molecule compound
(E)-{1-[2-(dimethylammonio)ethyl]-2-(2-fluorophenyl)-4,5-dioxopyrrolidin-3-ylidene}(3-methoxyphenyl)methanolate
Catalog ID
STL049764
SMILES COc1cccc(c1)/C(=C/1\C(=O)C(=O)N(C1c1ccccc1F)CC[NH+](C)C)/[O-]
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C22H23FN2O4 MW 398.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23FN2O4/c1-24(2)11-12-25-19(16-9-4-5-10-17(16)23)18(21(27)22(25)28)20(26)14-7-6-8-15(13-14)29-3/h4-10,13,19,26H,11-12H2,1-3H3/b20-18+InChIKey
YQECISVDUXKZHZ-CZIZESTLSA-NSynonyms
608503-45-3(4E)1(2DIMETHYLAMINOETHYL)5(2FLUOROPHENYL)4(HYDROXY(3METHOXYPHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(4Z)1(2DIMETHYLAMINOETHYL)5(2FLUOROPHENYL)4(HYDROXY(3METHOXYPHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(2(dimethylammonio)ethyl)2(2fluorophenyl)45dioxopyrrolidin3ylidene)(3methoxyphenyl)methanolate
(E)(1(2(DIMETHYLAZANIUMYL)ETHYL)2(2FLUOROPHENYL)45DIOXOPYRROLIDIN3YLIDENE)(3METHOXYPHENYL)METHANOLATE
608503453
C(NH+)(C)CCN1C(C(=C(C2=CC(=CC=C2)OC)(O))C(=O)C1=O)C3=CC=CC=C3F
COc1cccc(c1)C(=C1C(=O)C(=O)N(C1c1ccccc1F)CC(NH+)(C)C)(O)
InChI=1SC22H23FN2O4c124(2)11122519(169451017(16)23)18(21(27)22(25)28)20(26)1476815(1314)293h410131926H1112H213H3b2018+
MFCD18249289
ZINC000006621463
ZINC000006621470
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.